About 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine (PubChem CID 175772124) has the molecular formula C19H24N2O
and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine.
Molecular Properties
| Compound Name | 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine |
| PubChem CID | 175772124 |
| Molecular Formula | C19H24N2O |
| Molecular Weight | 296.41 g/mol |
| Exact Mass | 296.19 |
| IUPAC Name | 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine |
| SMILES | COCCN1CCN(c2ccc(-c3ccccc3)cc2)CC1 |
| InChI | InChI=1S/C19H24N2O/c1-22-16-15-20-11-13-21(14-12-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3 |
| InChIKey | BWWGRZMBQAJNKM-UHFFFAOYSA-N |
| XLogP | 3.12 |
| TPSA | 15.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 296.41 |
| LogP ≤ 5 | 3.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine (CID 175772124) is 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine is COCCN1CCN(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine?
The InChIKey is BWWGRZMBQAJNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-16-15-20-11-13-21(14-12-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine?
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine has a molecular weight of 296.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine is sourced from PubChem (CID 175772124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).